3,9,11-trimethyltetradecane

C17H36 — CID 158626683

IUPAC3,9,11-trimethyltetradecane
SMILESCCCC(C)CC(C)CCCCCC(C)CC
InChIInChI=1S/C17H36/c1-6-11-16(4)14-17(5)13-10-8-9-12-15(3)7-2/h15-17H,6-14H2,1-5H3
InChIKeyHYRIFLJCGXRNNK-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds11

About 3,9,11-trimethyltetradecane

3,9,11-trimethyltetradecane (PubChem CID 158626683) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,9,11-trimethyltetradecane.

Molecular Properties

Compound Name3,9,11-trimethyltetradecane
PubChem CID158626683
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,9,11-trimethyltetradecane
SMILESCCCC(C)CC(C)CCCCCC(C)CC
InChIInChI=1S/C17H36/c1-6-11-16(4)14-17(5)13-10-8-9-12-15(3)7-2/h15-17H,6-14H2,1-5H3
InChIKeyHYRIFLJCGXRNNK-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,9,11-trimethyltetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
CID 161458524
(4R,6S)-4,6-dimethyldodecane
CID 162976966
3,5-dimethylpentacosane
CID 86177199
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
4,11,14,16-tetramethylicosane
CID 123438722
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3-methyldodecane
CID 28469
6,8-dimethylhexadecane
CID 91185725
(3R)-3-methyltetracosane
CID 162842417

Frequently Asked Questions

What is the IUPAC name of 3,9,11-trimethyltetradecane?
The IUPAC name of 3,9,11-trimethyltetradecane (CID 158626683) is 3,9,11-trimethyltetradecane.
What is the SMILES notation for 3,9,11-trimethyltetradecane?
The canonical SMILES for 3,9,11-trimethyltetradecane is CCCC(C)CC(C)CCCCCC(C)CC.
What is the InChIKey of 3,9,11-trimethyltetradecane?
The InChIKey is HYRIFLJCGXRNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-11-16(4)14-17(5)13-10-8-9-12-15(3)7-2/h15-17H,6-14H2,1-5H3.
What are the key properties of 3,9,11-trimethyltetradecane?
3,9,11-trimethyltetradecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,11-trimethyltetradecane is sourced from PubChem (CID 158626683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).